HRID1137255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID59216474

4-Bromo-6-chloro-2-methylpyridazin-3(2H)-one

C5H4BrClN2O

结构：CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(N)nc1)C2

HCID66743230

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(Cl)cc(Nc2ccc(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)cn2)c1=O

HCID66742401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f070700ce41b4c2c81ea313fb9327d94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:22][c:23]1[c:24](=[O:31])[n:25]([CH3:30])[n:26][c:27]([Cl:29])[cH:28]1.[C:32](=[O:33])([O-:34])[O-:35].[Cl:44][CH2:45][Cl:46].[Cs+:36].[Cs+:37].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][C:10]3([CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]3)[CH2:21]2)[cH:6][n:7]1.[Na+:47].[Na+:48].[O-:49][S:50]([O-:51])(=[O:52])=[O:53].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][C:10]3([CH2:11][N:12]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:13]3)[CH2:21]2)[cH:6][n:7]1)[c:23]1[c:24](=[O:31])[n:25]([CH3:30])[n:26][c:27]([Cl:29])[cH:28]1